SCHEMBL28429862

SCHEMBL28429862

CCC(c1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 6/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.34
PSMD14 O00487 1/20 0.34
RECQL P46063 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14233622 0.85 ESR1 (0.41) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL13966059 0.85 ESR1 (0.41) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL22547666 0.81 ESR1 (0.41) ESR1ESR2TDP1MEN1KMT2A
SCHEMBL19276561 0.81 TDP1 (0.40) TDP1TSHRMAPTNPC1RAB9A
SCHEMBL25705343 0.79 TSHR (0.40) ESR1ESR2TDP1TSHRMAPK1
SCHEMBL28893969 0.79 ESR1 (0.40) ESR1ESR2ALDH1A1CYP3A4GAA
SCHEMBL5700800 0.78 LMNA (0.46) ESR1ESR2ALDH1A1CYP3A4MEN1
SCHEMBL13965561 0.78 GRIA4 (0.41) ESR1ESR2TSHRMAPTNPC1
Methylamine SCHEMBL28039460 0.78 LMNA (0.42) ESR1ESR2TDP1ALDH1A1
SCHEMBL13965141 0.78 ALDH1A1 (0.47) TDP1TSHRMAPTALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362833-B Double anthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2023-04-25 CN disclosed
CN-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN disclosed